Department of Chemistry

Department of Chemistry University of Oxford

The Department of Chemistry has purchased the University wide site license for the following software packages. These are University wide licenses and can be used on both departmental machines and personal staff and student computers:

ChemOffice Professional. Site licence codes for v19.1 - valid till end of Aug 2022 - normal list price is £2500 per installation

CrystalMaker Suite

You might also be interested in these two software packages to investigate molecular structures:

Accelyrs Discovery Studio Visualizer (free to University staff and students after online registration)

Avogadro (free open source product)

There is also a wide range of software only available for Departmental of Chemistry purchased computers e.g. Microsoft Office, Endnote, Mathtype etc. Please see this Chemistry Intranet web page for further info.

1) ChemOffice Professional v19.1 (valid to Aug 2022)

ChemBioOffice is a scientifically intelligent, integrated suite of personal productivity tools that enables scientists and researchers to capture, store, retrieve and share data and information on compounds, reactions, materials and their properties. ChemOffice helps chemists and biologists to efficiently keep track of their work, visualize and gain a deeper understanding of their results and correlate biological activity with chemical structures.

ChemDraw is used by hundreds of thousands of scientists around the world to quickly and effectively draw molecules, reactions and biological entities and pathways for use in documents and electronic lab notebooks; to search databases; and to generate accurate names from structures and to predict properties and spectra.

Chem3D generates 3D models so that chemists can view their compounds in three dimensions to assess shape and properties to maximize activity or specificity.

Both these packages are available for MS Windows. For Mac OS users ChemDraw Professional is only available.

find out more and get the software and serial codes


2) CrystalMaker Suite valid to 31st August 2021

including CrystalMaker, CrystalDiffract and SingleCrystal, these packages are available for MS Windows and Apple Mac.

find out more and get the software and serial codes

cm sd sc

3) Accelyrs Discovery Studio Visualizer

Molecular visualization is a key aspect of molecular modeling and data analysis. It provides an understanding about the implications of a molecule’s structure on certain interactions and biochemical reactions, while divulging mechanistic insight about a biochemical pathway. Many sophisticated visualization tools are available in the Discovery Studio® (DS) Visualizer, which is a Windows- and Linux-based software solution for life science visualization, modeling, and analysis.

find out more and get this free software

4) Avogadro

Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture.

  • Cross-Platform: Molecular builder/editor for Windows, Linux, and Mac OS X.
  • Free, Open Source: Easy to install and all source code is available under the GNU GPL.
  • Flexible: Features include Open Babel import of chemical files, input generation for multiple computational chemistry packages, crystallography, and biomolecules.
  • find out more and get this free software